6-bromo-2-(ethylamino)-4-methyl-8-propylpyrido[2,3-d]pyrimidin-7-one

C13H17BrN4O — CID 68746632

IUPAC6-bromo-2-(ethylamino)-4-methyl-8-propylpyrido[2,3-d]pyrimidin-7-one
SMILESCCCn1c(=O)c(Br)cc2c(C)nc(NCC)nc21
InChIInChI=1S/C13H17BrN4O/c1-4-6-18-11-9(7-10(14)12(18)19)8(3)16-13(17-11)15-5-2/h7H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyLGYBKRNLYDKGNC-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.70
Rot. Bonds4

About 6-bromo-2-(ethylamino)-4-methyl-8-propylpyrido[2,3-d]pyrimidin-7-one

6-bromo-2-(ethylamino)-4-methyl-8-propylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 68746632) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is 6-bromo-2-(ethylamino)-4-methyl-8-propylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-bromo-2-(ethylamino)-4-methyl-8-propylpyrido[2,3-d]pyrimidin-7-one
PubChem CID68746632
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC Name6-bromo-2-(ethylamino)-4-methyl-8-propylpyrido[2,3-d]pyrimidin-7-one
SMILESCCCn1c(=O)c(Br)cc2c(C)nc(NCC)nc21
InChIInChI=1S/C13H17BrN4O/c1-4-6-18-11-9(7-10(14)12(18)19)8(3)16-13(17-11)15-5-2/h7H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyLGYBKRNLYDKGNC-UHFFFAOYSA-N
XLogP2.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(ethylamino)-4-methyl-8-propylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-bromo-2-(ethylamino)-4-methyl-8-propylpyrido[2,3-d]pyrimidin-7-one (CID 68746632) is 6-bromo-2-(ethylamino)-4-methyl-8-propylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-bromo-2-(ethylamino)-4-methyl-8-propylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-bromo-2-(ethylamino)-4-methyl-8-propylpyrido[2,3-d]pyrimidin-7-one is CCCn1c(=O)c(Br)cc2c(C)nc(NCC)nc21.
What is the InChIKey of 6-bromo-2-(ethylamino)-4-methyl-8-propylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LGYBKRNLYDKGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c1-4-6-18-11-9(7-10(14)12(18)19)8(3)16-13(17-11)15-5-2/h7H,4-6H2,1-3H3,(H,15,16,17).
What are the key properties of 6-bromo-2-(ethylamino)-4-methyl-8-propylpyrido[2,3-d]pyrimidin-7-one?
6-bromo-2-(ethylamino)-4-methyl-8-propylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 325.21 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(ethylamino)-4-methyl-8-propylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 68746632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).